3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide

C14H15F3N4O2 — CID 162512084

IUPAC3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cc(N[C@H](C)C(F)(F)F)ccc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C14H15F3N4O2/c1-7(14(15,16)17)19-8-3-4-9(12(5-8)23-2)10-6-11(13(18)22)21-20-10/h3-7,19H,1-2H3,(H2,18,22)(H,20,21)/t7-/m1/s1
InChIKeyPKLXNLPBKWZXHA-SSDOTTSWSA-N
MW328.29 g/mol
LogP2.55
Rot. Bonds5

About 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide

3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 162512084) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide
PubChem CID162512084
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide
SMILESCOc1cc(N[C@H](C)C(F)(F)F)ccc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C14H15F3N4O2/c1-7(14(15,16)17)19-8-3-4-9(12(5-8)23-2)10-6-11(13(18)22)21-20-10/h3-7,19H,1-2H3,(H2,18,22)(H,20,21)/t7-/m1/s1
InChIKeyPKLXNLPBKWZXHA-SSDOTTSWSA-N
XLogP2.55
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 156565673
3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920273
3-(4-bromo-2-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 117478380
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
3-(2,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 46920331
ethyl 1-ethyl-5-[2-(trifluoromethoxy)-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-4-(trifluoromethyl)pyrazole-3-carboxylate
CID 162512062
N-(3,5-dichlorophenyl)-3-(2,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46920320
methyl 3-(2,3,4-trimethoxyphenyl)-1H-pyrazole-5-carboxylate
CID 96830063
3-(2,4-dimethoxyphenyl)-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920339
N-(benzylideneamino)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 760975
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
3-(2,4-dimethoxyphenyl)-N-(4-fluoro-2-methylphenyl)-1H-pyrazole-5-carboxamide
CID 46920338

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide (CID 162512084) is 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide is COc1cc(N[C@H](C)C(F)(F)F)ccc1-c1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is PKLXNLPBKWZXHA-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-7(14(15,16)17)19-8-3-4-9(12(5-8)23-2)10-6-11(13(18)22)21-20-10/h3-7,19H,1-2H3,(H2,18,22)(H,20,21)/t7-/m1/s1.
What are the key properties of 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide?
3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 328.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 162512084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).